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CHEBI:149375 - N-[(2R,3R,4R,5S,6R)-2,5-Dihydroxy-4-[(2R,3R,4R,5S,6R)-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:149375
ChEBI NameN-[(2R,3R,4R,5S,6R)-2,5-Dihydroxy-4-[(2R,3R,4R,5S,6R)-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC26H45NO20
Net Charge0
Average Mass691.633
Monoisotopic Mass691.25349
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-2/a3-b1_b3-c1_b4-d1
InChIInChI=1S/C26H45NO20/c1-6-12(32)15(35)17(37)24(41-6)47-22-19(39)26(46-21-11(27-7(2)31)23(40)42-9(4-29)14(21)34)44-10(5-30)20(22)45-25-18(38)16(36)13(33)8(3-28)43-25/h6,8-26,28-30,32-40H,3-5H2,1-2H3,(H,27,31)/t6-,8+,9+,10+,11+,12+,13-,14+,15+,16-,17-,18+,19+,20-,21+,22+,23+,24-,25-,26-/m0/s1
InChIKeyKJCCKGOXXLMZNP-MHHZPMHWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2,5-Dihydroxy-4-[(2R,3R,4R,5S,6R)-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:149375) is a amino sugar (CHEBI:28963)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-3)[Gal(b1-4)]Gal(b1-3)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G33724WQGlyTouCan
G33724WQGlyGen